N-[4-[2-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide

C16H21N5O2S — CID 56802316

IUPACN-[4-[2-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C(=O)N2CCCCC2Cn2cc(C)cn2)cs1
InChIInChI=1S/C16H21N5O2S/c1-11-7-17-20(8-11)9-13-5-3-4-6-21(13)15(23)14-10-24-16(19-14)18-12(2)22/h7-8,10,13H,3-6,9H2,1-2H3,(H,18,19,22)
InChIKeyGGNZBQZSQNEQGA-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.30
Rot. Bonds4

About N-[4-[2-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide

N-[4-[2-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 56802316) has the molecular formula C16H21N5O2S and a molecular weight of 347.44 g/mol. Its IUPAC name is N-[4-[2-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide
PubChem CID56802316
Molecular FormulaC16H21N5O2S
Molecular Weight347.44 g/mol
Exact Mass347.14
IUPAC NameN-[4-[2-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C(=O)N2CCCCC2Cn2cc(C)cn2)cs1
InChIInChI=1S/C16H21N5O2S/c1-11-7-17-20(8-11)9-13-5-3-4-6-21(13)15(23)14-10-24-16(19-14)18-12(2)22/h7-8,10,13H,3-6,9H2,1-2H3,(H,18,19,22)
InChIKeyGGNZBQZSQNEQGA-UHFFFAOYSA-N
XLogP2.30
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

US10894788, Example 100
CID 151770511
N-[4-[[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 53565398
N-[4-[[2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 53603018
N-[4-[[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 53607494
N-[4-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 53619910
[2-[(4-Methylpyrazol-1-yl)methyl]piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 56779121
2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 56780497
2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 56780507
N-[4-[2-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide
CID 56802309
N-[4-[2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide
CID 56802339
N-[4-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide
CID 56802356
3-(4-Methylpyrazol-1-yl)-1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one
CID 56817568

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-[2-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide (CID 56802316) is N-[4-[2-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-[2-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-[2-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C(=O)N2CCCCC2Cn2cc(C)cn2)cs1.
What is the InChIKey of N-[4-[2-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is GGNZBQZSQNEQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2S/c1-11-7-17-20(8-11)9-13-5-3-4-6-21(13)15(23)14-10-24-16(19-14)18-12(2)22/h7-8,10,13H,3-6,9H2,1-2H3,(H,18,19,22).
What are the key properties of N-[4-[2-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide?
N-[4-[2-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 347.44 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 56802316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).